%chk=000084290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084290

0 1
 O    1.634000      0.8661000       1.219700    
 O    3.908200      -1.627400     -2.0700000E-02
 O    5.846900     -0.5622000      0.4834000    
 N    2.660600      0.5183000     -0.8352000    
 C   -2.239500      9.7599998E-02 -0.5275000    
 C   -3.450300      0.1537000      0.4069000    
 C  -0.9443000      0.4172000      0.2201000    
 C   -4.739800     -0.2037000     -0.3354000    
 C   0.2678000      0.3283000     -0.7043000    
 C   -5.979900     -0.1861000      0.5607000    
 C   -7.253100     -0.6092000     -0.1557000    
 C    1.572800      0.6038000      2.1600001E-02
 C    4.021100      0.7341000     -0.4001000    
 C    4.695500     -0.5303000      6.6399999E-02
 H   -2.375500      0.8098000      -1.350300    
 H   -2.167200     -0.9020000     -0.9734000    
 H   -3.304700     -0.5433000       1.241000    
 H   -3.540200       1.158700      0.8363000    
 H  -0.8206000     -0.2814000       1.057100    
 H   -1.005600       1.422700      0.6547000    
 H   -4.887900      0.4967000      -1.166700    
 H   -4.634600      -1.202100     -0.7782000    
 H   0.3292000     -0.6736000      -1.146000    
 H   0.1692000       1.052500      -1.521700    
 H   -6.118600      0.8223000      0.9682000    
 H   -5.819900     -0.8546000       1.415200    
 H   -8.104900     -0.5761000      0.5307000    
 H   -7.466500      5.7399999E-02 -0.9972000    
 H   -7.163900      -1.630100     -0.5400000    
 H    2.507500      0.2752000      -1.809700    
 H    4.026400       1.455600      0.4223000    
 H    4.575600       1.130800      -1.255000    
 H    4.369600      -2.436200      0.2879000    


%chk=000084290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084290

0 1
O 1.550373 2.014992 0.239801
O 4.653858 -1.613950 -0.621083
O 6.246402 -0.216553 0.338949
N 2.648094 0.069303 -0.358260
C -2.308457 0.013238 -0.603956
C -3.518866 0.120328 0.351280
C -0.975306 0.408103 0.067482
C -4.864551 -0.223011 -0.326668
C 0.237912 0.256231 -0.881745
C -6.072710 -0.136001 0.634028
C -7.415462 -0.463748 -0.054365
C 1.512259 0.858182 -0.285126
C 3.923582 0.565532 0.156646
C 5.067298 -0.415675 -0.011694
H -2.479673 0.665930 -1.485823
H -2.241145 -1.024868 -0.992981
H -3.362254 -0.554334 1.218824
H -3.568391 1.149670 0.763475
H -0.815021 -0.211351 0.972997
H -1.016280 1.460062 0.407345
H -5.029537 0.463616 -1.183338
H -4.811521 -1.246377 -0.754607
H 0.387390 -0.806904 -1.154645
H 0.023215 0.804921 -1.821032
H -6.118291 0.883299 1.069216
H -5.911969 -0.829649 1.484545
H -8.262091 -0.394050 0.653306
H -7.613570 0.235902 -0.888311
H -7.407549 -1.488447 -0.472015
H 2.627619 -0.866486 -0.766939
H 3.844431 0.819582 1.232366
H 4.207733 1.514307 -0.339785
H 5.429880 -2.229295 -0.712788


